{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.116488 0.660982 0.791233 ] [ 0.116488 0.839018 0.291233 ] [ 0.223804 0.824083 0.567677 ] [ 0.223804 0.675917 0.067677 ] [ 0.776196 0.324083 0.932323 ] [ 0.776196 0.175917 0.432323 ] [ 0.883512 0.160982 0.708767 ] [ 0.883512 0.339018 0.208767 ] [ 0.537458 0.837742 0.821735 ] [ 0.462542 0.337742 0.678265 ] [ 0.537458 0.662258 0.321735 ] [ 0.462542 0.162258 0.178265 ] [ 0.184056 0.173947 0.939101 ] [ 0.184056 0.326053 0.439101 ] [ 0.815944 0.673947 0.560899 ] [ 0.815944 0.826053 0.060899 ] [ 0.059627 0.307854 0.859524 ] [ 0.059627 0.192146 0.359524 ] [ 0.205037 0.923654 0.927402 ] [ 0.205037 0.576346 0.427402 ] [ 0.28588 0.194424 0.531831 ] [ 0.353508 0.654971 0.715816 ] [ 0.28588 0.305576 0.031831 ] [ 0.353508 0.845029 0.215816 ] [ 0.646492 0.154971 0.784184 ] [ 0.71412 0.694424 0.968169 ] [ 0.646492 0.345029 0.284184 ] [ 0.71412 0.805576 0.468169 ] [ 0.794963 0.423654 0.572598 ] [ 0.794963 0.076346 0.072598 ] [ 0.940373 0.807854 0.640476 ] [ 0.940373 0.692146 0.140476 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.90131294 "source-unit" "angstrom" } "b" { "source-value" 5.05213829 "source-unit" "angstrom" } "c" { "source-value" 10.71298397 "source-unit" "angstrom" } "beta" { "source-value" 98.7925042 "source-unit" "degree" } }